2,2-dimethyl-5-(3-oxomorpholin-4-yl)pentanenitrile

C11H18N2O2 — CID 115278486

IUPAC2,2-dimethyl-5-(3-oxomorpholin-4-yl)pentanenitrile
SMILESCC(C)(C#N)CCCN1CCOCC1=O
InChIInChI=1S/C11H18N2O2/c1-11(2,9-12)4-3-5-13-6-7-15-8-10(13)14/h3-8H2,1-2H3
InChIKeyHLVNGPXPRZSOGF-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.18
Rot. Bonds4

About 2,2-dimethyl-5-(3-oxomorpholin-4-yl)pentanenitrile

2,2-dimethyl-5-(3-oxomorpholin-4-yl)pentanenitrile (PubChem CID 115278486) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2,2-dimethyl-5-(3-oxomorpholin-4-yl)pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-(3-oxomorpholin-4-yl)pentanenitrile
PubChem CID115278486
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2,2-dimethyl-5-(3-oxomorpholin-4-yl)pentanenitrile
SMILESCC(C)(C#N)CCCN1CCOCC1=O
InChIInChI=1S/C11H18N2O2/c1-11(2,9-12)4-3-5-13-6-7-15-8-10(13)14/h3-8H2,1-2H3
InChIKeyHLVNGPXPRZSOGF-UHFFFAOYSA-N
XLogP1.18
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-(2-oxopiperidin-1-yl)pentanenitrile
CID 65257372
4-decylmorpholin-3-one
CID 154372852
2,2-dimethyl-5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanenitrile
CID 65257211
4-(4-amino-3,3-dimethylbutyl)morpholin-3-one
CID 79469345
4-(2,2-dimethylpropyl)morpholin-3-one
CID 59172197
2,2-dimethyl-5-(2-oxo-5-propylazepan-1-yl)pentanenitrile
CID 65257593
2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile
CID 65251724
5-(2,4-dioxoimidazolidin-1-yl)-2,2-dimethylpentanenitrile
CID 65254881
2,2-dimethyl-6-(4-methyl-2,3-dioxopiperazin-1-yl)hexanenitrile
CID 106710237
2-(3-oxomorpholin-4-yl)ethanolate
CID 142382646
acetylene;ethane;4-propylmorpholin-3-one
CID 142466574
4-(3-methylbutyl)morpholin-3-one
CID 58222536

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(3-oxomorpholin-4-yl)pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-(3-oxomorpholin-4-yl)pentanenitrile (CID 115278486) is 2,2-dimethyl-5-(3-oxomorpholin-4-yl)pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-(3-oxomorpholin-4-yl)pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-(3-oxomorpholin-4-yl)pentanenitrile is CC(C)(C#N)CCCN1CCOCC1=O.
What is the InChIKey of 2,2-dimethyl-5-(3-oxomorpholin-4-yl)pentanenitrile?
The InChIKey is HLVNGPXPRZSOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,9-12)4-3-5-13-6-7-15-8-10(13)14/h3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(3-oxomorpholin-4-yl)pentanenitrile?
2,2-dimethyl-5-(3-oxomorpholin-4-yl)pentanenitrile has a molecular weight of 210.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(3-oxomorpholin-4-yl)pentanenitrile is sourced from PubChem (CID 115278486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).